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Name | Orexin receptor type 1 |
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Species | Homo sapiens (Human) |
Gene | HCRTR1 |
Synonym | hypocretin receptor 1 OX1R Ox1-R OX1 receptor Ox-1-R [ Show all ] |
Disease | Insomnia Sleep disorders; Insomnia; Substance dependence Sleep disorders; Insomnia |
Length | 425 |
Amino acid sequence | MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP |
UniProt | O43613 |
Protein Data Bank | 4zjc, 4zj8 |
GPCR-HGmod model | O43613 |
3D structure model | This structure is from PDB ID 4zjc. |
BioLiP | BL0339163, BL0339164 |
Therapeutic Target Database | T73482 |
ChEMBL | CHEMBL5113 |
IUPHAR | 321 |
DrugBank | BE0005864 |
Name | CHEMBL3974582 |
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Molecular formula | C23H21F2N7O3 |
IUPAC name | [2-fluoro-3-methoxy-6-(triazol-2-yl)phenyl]-[(3R)-3-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone |
Molecular weight | 481.464 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 0 |
XlogP | 3.2 |
Synonyms | BDBM184095 SCHEMBL14939542 US9150566, 133 |
Inchi Key | AHOIUZFUVOTFMM-QGZVFWFLSA-N |
Inchi ID | InChI=1S/C23H21F2N7O3/c1-34-20-5-4-19(32-28-8-9-29-32)21(22(20)25)23(33)30-10-11-35-14-17(30)13-15-12-16(2-3-18(15)24)31-26-6-7-27-31/h2-9,12,17H,10-11,13-14H2,1H3/t17-/m1/s1 |
PubChem CID | 89559808 |
ChEMBL | CHEMBL3974582 |
IUPHAR | N/A |
BindingDB | 184095 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 22.0 nM | , None | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218